smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1N=Nc2c3ccccc3c([O-])c3c(N4CCCCC4)ccc1c23 ZINC000101690479 219156697 /nfs/dbraw/zinc/15/66/97/219156697.db2.gz KCMDZSIUPJHYKH-UHFFFAOYSA-N -1 1 331.375 4.926 1 5 EJBFMM CC1(C)CCc2cc3c4oc5c(cccc5[O-])c4c(=O)oc3cc2O1 ZINC000033832031 291010923 /nfs/dbraw/zinc/01/09/23/291010923.db2.gz IHQGOXPJZNAHOY-UHFFFAOYSA-N -1 1 336.343 4.502 1 5 biogenic,in-vitro EJBFMM